2-chloro-N-[2-(dimethylamino)-2-(4-ethylphenyl)ethyl]-4,5-difluorobenzamide

C19H21ClF2N2O — CID 55370135

IUPAC2-chloro-N-[2-(dimethylamino)-2-(4-ethylphenyl)ethyl]-4,5-difluorobenzamide
SMILESCCc1ccc(C(CNC(=O)c2cc(F)c(F)cc2Cl)N(C)C)cc1
InChIInChI=1S/C19H21ClF2N2O/c1-4-12-5-7-13(8-6-12)18(24(2)3)11-23-19(25)14-9-16(21)17(22)10-15(14)20/h5-10,18H,4,11H2,1-3H3,(H,23,25)
InChIKeyBBKDFQDWKNNFLL-UHFFFAOYSA-N
MW366.84 g/mol
LogP4.21
Rot. Bonds6

About 2-chloro-N-[2-(dimethylamino)-2-(4-ethylphenyl)ethyl]-4,5-difluorobenzamide

2-chloro-N-[2-(dimethylamino)-2-(4-ethylphenyl)ethyl]-4,5-difluorobenzamide (PubChem CID 55370135) has the molecular formula C19H21ClF2N2O and a molecular weight of 366.84 g/mol. Its IUPAC name is 2-chloro-N-[2-(dimethylamino)-2-(4-ethylphenyl)ethyl]-4,5-difluorobenzamide.

Molecular Properties

Compound Name2-chloro-N-[2-(dimethylamino)-2-(4-ethylphenyl)ethyl]-4,5-difluorobenzamide
PubChem CID55370135
Molecular FormulaC19H21ClF2N2O
Molecular Weight366.84 g/mol
Exact Mass366.13
IUPAC Name2-chloro-N-[2-(dimethylamino)-2-(4-ethylphenyl)ethyl]-4,5-difluorobenzamide
SMILESCCc1ccc(C(CNC(=O)c2cc(F)c(F)cc2Cl)N(C)C)cc1
InChIInChI=1S/C19H21ClF2N2O/c1-4-12-5-7-13(8-6-12)18(24(2)3)11-23-19(25)14-9-16(21)17(22)10-15(14)20/h5-10,18H,4,11H2,1-3H3,(H,23,25)
InChIKeyBBKDFQDWKNNFLL-UHFFFAOYSA-N
XLogP4.21
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.84
LogP ≤ 54.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Related Compounds

2,4-dichloro-N-[2-(dimethylamino)-2-(4-ethylphenyl)ethyl]-5-fluorobenzamide
CID 42919391
4-bromo-N-[2-(dimethylamino)-2-(4-ethylphenyl)ethyl]-2-fluorobenzamide
CID 24640186
N-[2-(dimethylamino)-2-(4-ethylphenyl)ethyl]-2-fluoro-4-nitrobenzamide
CID 87021093
N-[2-(dimethylamino)-2-(4-ethylphenyl)ethyl]-2-methylbenzamide
CID 46422034
N-[2-(dimethylamino)-2-(4-ethylphenyl)ethyl]-2-methyl-5-methylsulfanylbenzamide
CID 43047884
N-[2-(dimethylamino)-2-(4-ethylphenyl)ethyl]-2-(2-fluorophenyl)acetamide
CID 24640125
2,4-dichloro-N-[(2R)-2-(dimethylamino)-2-phenylethyl]benzamide
CID 27230027
5-chloro-N-[(2R)-2-(dimethylamino)-2-(4-ethylphenyl)ethyl]-2-methylsulfanylpyrimidine-4-carboxamide
CID 51935037
N-[2-(dimethylamino)-2-(4-ethylphenyl)ethyl]-2-nitrobenzamide
CID 51186743
7-chloro-N-[2-(dimethylamino)-2-(4-ethylphenyl)ethyl]-1,3-benzodioxole-5-carboxamide
CID 46422139
methyl 4-[[(2-chloro-4,5-difluorobenzoyl)amino]methyl]benzoate
CID 4810749
5-bromo-N-[2-(dimethylamino)-2-(4-ethylphenyl)ethyl]thiophene-3-carboxamide
CID 46578078

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[2-(dimethylamino)-2-(4-ethylphenyl)ethyl]-4,5-difluorobenzamide?
The IUPAC name of 2-chloro-N-[2-(dimethylamino)-2-(4-ethylphenyl)ethyl]-4,5-difluorobenzamide (CID 55370135) is 2-chloro-N-[2-(dimethylamino)-2-(4-ethylphenyl)ethyl]-4,5-difluorobenzamide.
What is the SMILES notation for 2-chloro-N-[2-(dimethylamino)-2-(4-ethylphenyl)ethyl]-4,5-difluorobenzamide?
The canonical SMILES for 2-chloro-N-[2-(dimethylamino)-2-(4-ethylphenyl)ethyl]-4,5-difluorobenzamide is CCc1ccc(C(CNC(=O)c2cc(F)c(F)cc2Cl)N(C)C)cc1.
What is the InChIKey of 2-chloro-N-[2-(dimethylamino)-2-(4-ethylphenyl)ethyl]-4,5-difluorobenzamide?
The InChIKey is BBKDFQDWKNNFLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21ClF2N2O/c1-4-12-5-7-13(8-6-12)18(24(2)3)11-23-19(25)14-9-16(21)17(22)10-15(14)20/h5-10,18H,4,11H2,1-3H3,(H,23,25).
What are the key properties of 2-chloro-N-[2-(dimethylamino)-2-(4-ethylphenyl)ethyl]-4,5-difluorobenzamide?
2-chloro-N-[2-(dimethylamino)-2-(4-ethylphenyl)ethyl]-4,5-difluorobenzamide has a molecular weight of 366.84 g/mol, XLogP of 4.21, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[2-(dimethylamino)-2-(4-ethylphenyl)ethyl]-4,5-difluorobenzamide is sourced from PubChem (CID 55370135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).